2,4-dichloro-3-[3-fluoro-5-(1-methylcyclopropyl)phenoxy]-N-[(1-methylsulfonylpiperidin-4-yl)methyl]benzamide

C24H27Cl2FN2O4S — CID 155781874

IUPAC2,4-dichloro-3-[3-fluoro-5-(1-methylcyclopropyl)phenoxy]-N-[(1-methylsulfonylpiperidin-4-yl)methyl]benzamide
SMILESCC1(c2cc(F)cc(Oc3c(Cl)ccc(C(=O)NCC4CCN(S(C)(=O)=O)CC4)c3Cl)c2)CC1
InChIInChI=1S/C24H27Cl2FN2O4S/c1-24(7-8-24)16-11-17(27)13-18(12-16)33-22-20(25)4-3-19(21(22)26)23(30)28-14-15-5-9-29(10-6-15)34(2,31)32/h3-4,11-13,15H,5-10,14H2,1-2H3,(H,28,30)
InChIKeyVBVLXNDFGAFQPY-UHFFFAOYSA-N
MW529.46 g/mol
LogP5.38
Rot. Bonds7

About 2,4-dichloro-3-[3-fluoro-5-(1-methylcyclopropyl)phenoxy]-N-[(1-methylsulfonylpiperidin-4-yl)methyl]benzamide

2,4-dichloro-3-[3-fluoro-5-(1-methylcyclopropyl)phenoxy]-N-[(1-methylsulfonylpiperidin-4-yl)methyl]benzamide (PubChem CID 155781874) has the molecular formula C24H27Cl2FN2O4S and a molecular weight of 529.46 g/mol. Its IUPAC name is 2,4-dichloro-3-[3-fluoro-5-(1-methylcyclopropyl)phenoxy]-N-[(1-methylsulfonylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-3-[3-fluoro-5-(1-methylcyclopropyl)phenoxy]-N-[(1-methylsulfonylpiperidin-4-yl)methyl]benzamide
PubChem CID155781874
Molecular FormulaC24H27Cl2FN2O4S
Molecular Weight529.46 g/mol
Exact Mass528.11
IUPAC Name2,4-dichloro-3-[3-fluoro-5-(1-methylcyclopropyl)phenoxy]-N-[(1-methylsulfonylpiperidin-4-yl)methyl]benzamide
SMILESCC1(c2cc(F)cc(Oc3c(Cl)ccc(C(=O)NCC4CCN(S(C)(=O)=O)CC4)c3Cl)c2)CC1
InChIInChI=1S/C24H27Cl2FN2O4S/c1-24(7-8-24)16-11-17(27)13-18(12-16)33-22-20(25)4-3-19(21(22)26)23(30)28-14-15-5-9-29(10-6-15)34(2,31)32/h3-4,11-13,15H,5-10,14H2,1-2H3,(H,28,30)
InChIKeyVBVLXNDFGAFQPY-UHFFFAOYSA-N
XLogP5.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.46
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-dichloro-3-[3-fluoro-5-(1-methylcyclopropyl)phenoxy]-N-[(1-methylsulfonylpiperidin-4-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-[3-fluoro-5-(1-methylcyclopropyl)phenoxy]-N-[(1-methylsulfonylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 2,4-dichloro-3-[3-fluoro-5-(1-methylcyclopropyl)phenoxy]-N-[(1-methylsulfonylpiperidin-4-yl)methyl]benzamide (CID 155781874) is 2,4-dichloro-3-[3-fluoro-5-(1-methylcyclopropyl)phenoxy]-N-[(1-methylsulfonylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-3-[3-fluoro-5-(1-methylcyclopropyl)phenoxy]-N-[(1-methylsulfonylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 2,4-dichloro-3-[3-fluoro-5-(1-methylcyclopropyl)phenoxy]-N-[(1-methylsulfonylpiperidin-4-yl)methyl]benzamide is CC1(c2cc(F)cc(Oc3c(Cl)ccc(C(=O)NCC4CCN(S(C)(=O)=O)CC4)c3Cl)c2)CC1.
What is the InChIKey of 2,4-dichloro-3-[3-fluoro-5-(1-methylcyclopropyl)phenoxy]-N-[(1-methylsulfonylpiperidin-4-yl)methyl]benzamide?
The InChIKey is VBVLXNDFGAFQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2FN2O4S/c1-24(7-8-24)16-11-17(27)13-18(12-16)33-22-20(25)4-3-19(21(22)26)23(30)28-14-15-5-9-29(10-6-15)34(2,31)32/h3-4,11-13,15H,5-10,14H2,1-2H3,(H,28,30).
What are the key properties of 2,4-dichloro-3-[3-fluoro-5-(1-methylcyclopropyl)phenoxy]-N-[(1-methylsulfonylpiperidin-4-yl)methyl]benzamide?
2,4-dichloro-3-[3-fluoro-5-(1-methylcyclopropyl)phenoxy]-N-[(1-methylsulfonylpiperidin-4-yl)methyl]benzamide has a molecular weight of 529.46 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-[3-fluoro-5-(1-methylcyclopropyl)phenoxy]-N-[(1-methylsulfonylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 155781874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).